SCHEMBL6474199

SCHEMBL6474199

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
CTSK P43235 6/20 0.52
CTSL P07711 4/20 0.52
CACNA1B Q00975 1/20 0.52
YAP1 P46937 3/20 0.50
CTSB P07858 2/20 0.50
CAPN1 P07384 2/20 0.50
CTSS P25774 2/20 0.50
P2RX7 Q99572 2/20 0.48
REN P00797 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6474204 1.00 MAPK1 (0.56) MAPK1CTSKCTSLCACNA1BYAP1
SCHEMBL6473065 0.91 MAPK1 (0.52) MAPK1CTSKCTSLCACNA1BYAP1
SCHEMBL6481485 0.89 CTSK (0.56) CTSKCTSLCAPN1CTSSP2RX7
SCHEMBL6479130 0.88 CTSK (0.55) CTSKCTSLCACNA1BCAPN1CTSS
SCHEMBL6479823 0.87 CTSK (0.54) CTSKCTSLCACNA1BCAPN1CTSS
SCHEMBL6479164 0.85 CACNA1B (0.50) MAPK1CACNA1BYAP1REN
SCHEMBL7536860 0.85 CACNA1B (0.50) MAPK1CACNA1BYAP1REN
Hydrochloric Acid SCHEMBL7540812 0.84 CACNA1B (0.49) MAPK1CACNA1BYAP1REN
Hydrochloric Acid SCHEMBL6480368 0.84 CACNA1B (0.49) MAPK1CACNA1BYAP1REN
SCHEMBL10349214 0.82 CTSK (0.69) CTSKCTSLCTSBCAPN1CTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed